1-(1-benzylazepan-4-yl)cyclopropan-1-amine

C16H24N2 — CID 83912862

IUPAC1-(1-benzylazepan-4-yl)cyclopropan-1-amine
SMILESNC1(C2CCCN(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C16H24N2/c17-16(9-10-16)15-7-4-11-18(12-8-15)13-14-5-2-1-3-6-14/h1-3,5-6,15H,4,7-13,17H2
InChIKeyKEJSYUPLADJXJL-UHFFFAOYSA-N
MW244.38 g/mol
LogP2.78
Rot. Bonds3

About 1-(1-benzylazepan-4-yl)cyclopropan-1-amine

1-(1-benzylazepan-4-yl)cyclopropan-1-amine (PubChem CID 83912862) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 1-(1-benzylazepan-4-yl)cyclopropan-1-amine.

Molecular Properties

Compound Name1-(1-benzylazepan-4-yl)cyclopropan-1-amine
PubChem CID83912862
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name1-(1-benzylazepan-4-yl)cyclopropan-1-amine
SMILESNC1(C2CCCN(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C16H24N2/c17-16(9-10-16)15-7-4-11-18(12-8-15)13-14-5-2-1-3-6-14/h1-3,5-6,15H,4,7-13,17H2
InChIKeyKEJSYUPLADJXJL-UHFFFAOYSA-N
XLogP2.78
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3R)-1-benzylpyrrolidin-3-yl]cyclopropan-1-amine
CID 11171961
1-[(1-benzylazepan-4-yl)methyl]cyclopropan-1-amine
CID 83913262
3-benzyl-3-azabicyclo[4.1.0]heptan-1-amine
CID 82658680
1-benzylazepane
CID 10954328
(1-benzyl-4-cyclopropylpiperidin-4-yl)methanamine
CID 21036983
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
1-benzyl-4-(fluoromethyl)azepan-4-amine
CID 115041654
7-benzyl-7-azaspiro[4.5]decan-10-amine
CID 82385401
1-benzyl-3-cyclopentylazepan-3-ol
CID 83826093
(1-benzyl-3-cyclopentylpyrrolidin-3-yl)methanamine
CID 83825709
2-benzyl-5a-phenyl-1,3,4,5,6,7,8,8a-octahydrocyclopenta[c]azepine
CID 21330535
1-benzylpyrrolidine;propane
CID 143692089

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylazepan-4-yl)cyclopropan-1-amine?
The IUPAC name of 1-(1-benzylazepan-4-yl)cyclopropan-1-amine (CID 83912862) is 1-(1-benzylazepan-4-yl)cyclopropan-1-amine.
What is the SMILES notation for 1-(1-benzylazepan-4-yl)cyclopropan-1-amine?
The canonical SMILES for 1-(1-benzylazepan-4-yl)cyclopropan-1-amine is NC1(C2CCCN(Cc3ccccc3)CC2)CC1.
What is the InChIKey of 1-(1-benzylazepan-4-yl)cyclopropan-1-amine?
The InChIKey is KEJSYUPLADJXJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c17-16(9-10-16)15-7-4-11-18(12-8-15)13-14-5-2-1-3-6-14/h1-3,5-6,15H,4,7-13,17H2.
What are the key properties of 1-(1-benzylazepan-4-yl)cyclopropan-1-amine?
1-(1-benzylazepan-4-yl)cyclopropan-1-amine has a molecular weight of 244.38 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzylazepan-4-yl)cyclopropan-1-amine is sourced from PubChem (CID 83912862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).